N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine

C23H21N3O3 — CID 46214542

IUPACN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine
SMILESc1cnc(Oc2ccc(Nc3nc4ccccc4o3)cc2)c(C2CCOCC2)c1
InChIInChI=1S/C23H21N3O3/c1-2-6-21-20(5-1)26-23(29-21)25-17-7-9-18(10-8-17)28-22-19(4-3-13-24-22)16-11-14-27-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,25,26)
InChIKeyORAWXJGNOQYIMP-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.65
Rot. Bonds5

About N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine

N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine (PubChem CID 46214542) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine
PubChem CID46214542
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine
SMILESc1cnc(Oc2ccc(Nc3nc4ccccc4o3)cc2)c(C2CCOCC2)c1
InChIInChI=1S/C23H21N3O3/c1-2-6-21-20(5-1)26-23(29-21)25-17-7-9-18(10-8-17)28-22-19(4-3-13-24-22)16-11-14-27-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,25,26)
InChIKeyORAWXJGNOQYIMP-UHFFFAOYSA-N
XLogP5.65
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

Ontazolast
CID 71458
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
4-(2-(4-isopropylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040407
4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1385138
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662589
N-(4-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329851
4-(2-(3-tert-butyl phenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 54584640
[1-[3-[4-(1,3-Benzoxazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 71461384

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine (CID 46214542) is N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine is c1cnc(Oc2ccc(Nc3nc4ccccc4o3)cc2)c(C2CCOCC2)c1.
What is the InChIKey of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine?
The InChIKey is ORAWXJGNOQYIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-6-21-20(5-1)26-23(29-21)25-17-7-9-18(10-8-17)28-22-19(4-3-13-24-22)16-11-14-27-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,25,26).
What are the key properties of N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine?
N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine has a molecular weight of 387.44 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 46214542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).